3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-isopropyl-benzamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)NC(C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)NC(C)C)C

InChI

InChI=1S/C21H28N4OS/c1-14(2)22-20(26)18-9-7-8-17(12-18)13-27-21-23-16(4)15(3)19(24-21)25-10-5-6-11-25/h7-9,12,14H,5-6,10-11,13H2,1-4H3,(H,22,26)